(7-Hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) acetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (7-Hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl) acetate
• 化学式: C₁₇H₂₀O₅
• 分子量: 304.34
• InChiKey: BVVRFLKHDORYLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Indoline derivatives
  申请人：Fensome Andrew

  公开号：US20070259944A1

  公开（公告）日：2007-11-08

  This invention relates to substituted indoline derivative compounds which are antagonists of the progesterone receptor, their preparation and pharmaceutical utility, particularly including contraception and treatment of benign or malignant neoplastic diseases, having the general structure: wherein R 1 and R 2 may be single substituents or fused to form spirocyclic rings.

  本发明涉及取代的吲哚啉衍生物化合物，其是孕激素受体拮抗剂，其制备和药用，特别包括避孕和治疗良性或恶性肿瘤疾病，具有以下一般结构：其中R1和R2可以是单个取代基或融合形成螺环。
• CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Zhang Puwen

  公开号：US20090281096A1

  公开（公告）日：2009-11-12

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本发明提供了使用化合物作为孕激素受体激动剂进行避孕和治疗孕激素相关疾病的方法，这些化合物可以单独使用或与雌激素受体激动剂或孕激素受体拮抗剂联合使用。这些化合物具有以下结构：其中R1，R2，R3，R4，R5和Q1如本文所定义。
• CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Zhang Puwen

  公开号：US20090111802A1

  公开（公告）日：2009-04-30

  This invention provides compounds of Formula (I): wherein R 1 and R 2 are independent substituents or are fused to form spirocyclic rings; R 3 , R C , and R 4 are as defined herein; and R 5 is a substituted benzene ring or a substituted five or six membered heterocyclic ring having in its backbone 1, 2, or 3 heteroatoms including O, S, SO, SO 2 or NR 6 ; or pharmaceutically acceptable salt thereof, as well as pharmaceutical compositions and methods using the compounds as antagonists of the progesterone receptor.

  该发明提供了式（I）的化合物：其中R1和R2是独立的取代基或融合形成螺环状环；R3，RC和R4如本文所定义；而R5是取代苯环或在其骨架中具有1、2或3个杂原子，包括O，S，SO，SO2或NR6的取代五元或六元杂环；或其药学上可接受的盐，以及使用该化合物作为孕激素受体拮抗剂的药物组合物和方法。
• Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators
  申请人：Wyeth LLC

  公开号：US20130261112A1

  公开（公告）日：2013-10-03

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本发明提供了使用具有孕激素受体激动剂作用的化合物进行避孕和治疗孕激素相关疾病的方法，该方法可以单独或与雌激素受体激动剂或孕激素受体拮抗剂结合使用。这些化合物的结构如下：其中R1、R2、R3、R4、R5和Q1在此定义。
• Cyanopyrroles
  申请人：Collins Mark A.

  公开号：US20110039839A1

  公开（公告）日：2011-02-17

  This invention provides a progesterone receptor antagonist of formula 1 having the structure wherein, T is O, S, or absent; R 1 , and R 2 are each, independently, hydrogen, alkyl, substituted alkyl; or R 1 and R 2 are taken together form a ring and together contain —CH 2 (CH 2 ) n CH 2 —, —CH 2 CH 2 CMe 2 CH 2 CH 2 —, —O(CH 2 ) p CH 2 —, —O(CH 2 ) q O—, —CH 2 CH 2 OCH 2 CH 2 —, or —CH 2 CH 2 NR 7 CH 2 CH 2 —; n=1-5; p=1-4; q=1-4; R 3 is hydrogen, OH, NH 2 , alkyl, substituted alkyl, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, or COR A ; R A is hydrogen, alkyl, substituted alkyl, alkoxy, substituted alkoxy, aminoalkyl, or substituted aminoalkyl; R 4 is hydrogen, halogen, CN, NH 2 , alkyl, substituted alkyl, alkoxy, substituted alkoxy, aminoalkyl, or substituted aminoalkyl; R 5 is hydrogen, alkyl, or substituted alkyl; R 6 is hydrogen, alkyl, substituted alkyl, or COR B ; R B is hydrogen, alkyl, substituted alkyl, alkoxy, substituted alkoxy, aminoalkyl, or substituted aminoalkyl; R 7 is hydrogen or alkyl; or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的孕激素受体拮抗剂1：其中，T为O、S或不存在；R1和R2分别独立地为氢、烷基、取代烷基；或R1和R2一起形成一个环，并且一起包含—CH2( )n —、— CMe2 —、—O( )p —、—O( )qO—、— O —或— NR7 —；n=1-5；p=1-4；q=1-4；R3为氢、OH、NH2、烷基、取代烷基、烯基、取代烯基、炔基、取代炔基或CORA；RA为氢、烷基、取代烷基、烷氧基、取代烷氧基、氨基烷基或取代氨基烷基；R4为氢、卤素、CN、NH2、烷基、取代烷基、烷氧基、取代烷氧基、氨基烷基或取代氨基烷基；R5为氢、烷基或取代烷基；R6为氢、烷基、取代烷基或CORB；RB为氢、烷基、取代烷基、烷氧基、取代烷氧基、氨基烷基或取代氨基烷基；R7为氢或烷基；或其药学上可接受的盐。